SDL Material Design presents
Ab initio supported (3rd generation) CALPHAD modelling workshop
Date: November 17, 2026 1 pm - 5 pm, and November 18, 2026, 10 am - 16 pm, format: online
Modern materials design increasingly relies on the integration of computational thermodynamics and atomistic modelling to accelerate alloy development and understand complex material behaviour. This workshop bridges these complementary approaches, providing participants with both the theoretical background and practical tools needed for contemporary computational materials science.
This two-day workshop provides an accessible introduction to computational thermodynamics and ab initio calculations in materials design. Participants will learn the fundamentals the CALPHAD method, thermochemical databases and the workflow of interaction parameter optimization using gexperimental and ab initio data.
The workshop also introduces density functional theory (DFT) and itsrole in CALPHAD-oriented modelling, covering alloy simulations with Special Quasi-random Structures (SQS) and the inclusion of temperature and pressure effects. Lectures on both topics are complemented by hands-on sessions to give participants practical experience with modern computational approaches in materials science.
Language: English
Capacity: unlimited
Required skills: beginner
Registration will follow soon.
Contact person
Dr. Ganesh Kumar Nayak
RWTH Aachen University
Ondrej Fikar
RWTH Aachen University
Christian Gutschka
RWTH Aachen University